CHEBI:16092 - isoquinoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoquinoline
ChEBI ID CHEBI:16092
Definition An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43484, CHEBI:6051, CHEBI:14479, CHEBI:24920
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Formula C9H7N
Net Charge 0
Average Mass 129.15860
Monoisotopic Mass 129.058
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILES c1ccc2cnccc2c1
ChEBI Ontology
Outgoing isoquinoline (CHEBI:16092) is a ortho-fused heteroarene (CHEBI:52362)
isoquinoline (CHEBI:16092) is a azaarene (CHEBI:50893)
isoquinoline (CHEBI:16092) is a isoquinolines (CHEBI:24922)
isoquinoline (CHEBI:16092) is a mancude organic heterobicyclic parent (CHEBI:35570)
Incoming perfluoro-N-methyldecahydroisoquinoline (CHEBI:38859) has parent hydride isoquinoline (CHEBI:16092)
IUPAC Name
isoquinoline
Synonyms Sources
2-benzazine ChEBI
2-Benzazine KEGG COMPOUND
Benzo[c]pyridine KEGG COMPOUND
Isochinolin NIST Chemistry WebBook
Isoquinoline KEGG COMPOUND
ISOQUINOLINE PDBeChem
isoquinoline UniProt
Manual Xrefs Databases
C06323 KEGG COMPOUND
DB04329 DrugBank
HMDB0034244 HMDB
Isoquinoline Wikipedia
ISOQUINOLINE MetaCyc
ISQ PDBeChem
View more database links
Registry Numbers Types Sources
107549 Beilstein Registry Number Beilstein
107549 Reaxys Registry Number Reaxys
119-65-3 CAS Registry Number KEGG COMPOUND
119-65-3 CAS Registry Number ChemIDplus
119-65-3 CAS Registry Number NIST Chemistry WebBook
3676 Gmelin Registry Number Gmelin
Last Modified
07 July 2015